![]() ![]() WOMBAT is also integrated in CABINET (Chemical And Biological. WOMBAT and WOMBAT-PK are currently available in the MDL Isis/Base format. The inclusion of the precomputed properties panel allows the users to quickly identify rule-of-five or rule-of-three compliant datasets, or to constrain the query with respect to, for example, flexible bonds, PSA, computed solubility or LogP, and so on. Īs annotated databases, WOMBAT and WOMBAT-PK continue to evolve in time - not only with the addition of more entries but also with updates and restructuring of the biological, clinical, and chemical information, which is subject to revision even after the data are captured and indexed. Literature has been covered until spring 1995. The data in this review have been compiled in a data base using MDL ISIS-Base. From user s point of view, the ChemSelect AQB component is just part of PGVL Hub. PGVL Hub has embedded this reusable Java component within itself so that users can search for suitable reactants from various corporate reactants databases and inventory houses and return the hits seamlessly back into PGVL Hub design session. It has a functional role similar to MDL ISIS/BASE, but with many enhanced capabilities. ChemSelect AQB (Advanced Query Builder) A Pfizer in- house developed reusable Java component that allows users to query various molecular structure databases within Pfizer based on molecular structural information and/or other properties, retrieve, manage, and export retrieved hits. ![]()
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